(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid

C11H11ClFNO4S — CID 103862650

IUPAC(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H11ClFNO4S/c12-8-4-3-7(13)6-10(8)19(17,18)14-5-1-2-9(14)11(15)16/h3-4,6,9H,1-2,5H2,(H,15,16)/t9-/m0/s1
InChIKeyBJVFZDRAQWCWGO-VIFPVBQESA-N
MW307.73 g/mol
LogP1.72
Rot. Bonds3

About (2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid

(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (PubChem CID 103862650) has the molecular formula C11H11ClFNO4S and a molecular weight of 307.73 g/mol. Its IUPAC name is (2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.

Molecular Properties

Compound Name(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
PubChem CID103862650
Molecular FormulaC11H11ClFNO4S
Molecular Weight307.73 g/mol
Exact Mass307.01
IUPAC Name(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
SMILESO=C(O)[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1Cl
InChIInChI=1S/C11H11ClFNO4S/c12-8-4-3-7(13)6-10(8)19(17,18)14-5-1-2-9(14)11(15)16/h3-4,6,9H,1-2,5H2,(H,15,16)/t9-/m0/s1
InChIKeyBJVFZDRAQWCWGO-VIFPVBQESA-N
XLogP1.72
TPSA74.68 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms19
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500307.73
LogP ≤ 51.72
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

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Related Compounds

(2R)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 103862709
(2R)-1-(5-carboxy-2-chlorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 2100876
1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122068626
(2R)-1-(5-chloro-2-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 122069689
(2S)-1-(5-fluoro-2-methylphenyl)sulfonylpiperidine-2-carboxylic acid
CID 51888037
(2S)-1-(2-chloro-5-fluorophenyl)sulfonyl-4-hydroxypyrrolidine-2-carboxylic acid
CID 105399718
1-[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]propan-2-one
CID 105400230
(3R)-1-(2-chloro-5-fluorophenyl)sulfonylpiperidine-3-carboxylic acid
CID 104937173
[1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidin-2-yl]methanamine
CID 115752536
(2R)-1-(4-chloro-2-fluorophenyl)sulfonylpiperidine-2-carboxylic acid
CID 79034860
1-(4-bromo-2-chlorophenyl)sulfonylpyrrolidine-2-carboxylic acid
CID 43084223
1-(2-chloro-5-fluorophenyl)sulfonylazepan-2-amine
CID 105400292

Frequently Asked Questions

What is the IUPAC name of (2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The IUPAC name of (2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid (CID 103862650) is (2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid.
What is the SMILES notation for (2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The canonical SMILES for (2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid is O=C(O)[C@@H]1CCCN1S(=O)(=O)c1cc(F)ccc1Cl.
What is the InChIKey of (2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
The InChIKey is BJVFZDRAQWCWGO-VIFPVBQESA-N. The full InChI is InChI=1S/C11H11ClFNO4S/c12-8-4-3-7(13)6-10(8)19(17,18)14-5-1-2-9(14)11(15)16/h3-4,6,9H,1-2,5H2,(H,15,16)/t9-/m0/s1.
What are the key properties of (2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid?
(2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid has a molecular weight of 307.73 g/mol, XLogP of 1.72, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (2S)-1-(2-chloro-5-fluorophenyl)sulfonylpyrrolidine-2-carboxylic acid is sourced from PubChem (CID 103862650), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).